(2-chlorophenyl)-(2-phenyltetrazol-5-yl)methanone

C14H9ClN4O — CID 146167334

IUPAC(2-chlorophenyl)-(2-phenyltetrazol-5-yl)methanone
SMILESO=C(c1nnn(-c2ccccc2)n1)c1ccccc1Cl
InChIInChI=1S/C14H9ClN4O/c15-12-9-5-4-8-11(12)13(20)14-16-18-19(17-14)10-6-2-1-3-7-10/h1-9H
InChIKeyMRHZIBLBCYOTNZ-UHFFFAOYSA-N
MW284.71 g/mol
LogP2.55
Rot. Bonds3

About (2-chlorophenyl)-(2-phenyltetrazol-5-yl)methanone

(2-chlorophenyl)-(2-phenyltetrazol-5-yl)methanone (PubChem CID 146167334) has the molecular formula C14H9ClN4O and a molecular weight of 284.71 g/mol. Its IUPAC name is (2-chlorophenyl)-(2-phenyltetrazol-5-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(2-phenyltetrazol-5-yl)methanone
PubChem CID146167334
Molecular FormulaC14H9ClN4O
Molecular Weight284.71 g/mol
Exact Mass284.05
IUPAC Name(2-chlorophenyl)-(2-phenyltetrazol-5-yl)methanone
SMILESO=C(c1nnn(-c2ccccc2)n1)c1ccccc1Cl
InChIInChI=1S/C14H9ClN4O/c15-12-9-5-4-8-11(12)13(20)14-16-18-19(17-14)10-6-2-1-3-7-10/h1-9H
InChIKeyMRHZIBLBCYOTNZ-UHFFFAOYSA-N
XLogP2.55
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.71
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-chlorophenyl)-(2-phenyltetrazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(2-phenyltetrazol-5-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(2-phenyltetrazol-5-yl)methanone (CID 146167334) is (2-chlorophenyl)-(2-phenyltetrazol-5-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(2-phenyltetrazol-5-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(2-phenyltetrazol-5-yl)methanone is O=C(c1nnn(-c2ccccc2)n1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-(2-phenyltetrazol-5-yl)methanone?
The InChIKey is MRHZIBLBCYOTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4O/c15-12-9-5-4-8-11(12)13(20)14-16-18-19(17-14)10-6-2-1-3-7-10/h1-9H.
What are the key properties of (2-chlorophenyl)-(2-phenyltetrazol-5-yl)methanone?
(2-chlorophenyl)-(2-phenyltetrazol-5-yl)methanone has a molecular weight of 284.71 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(2-phenyltetrazol-5-yl)methanone is sourced from PubChem (CID 146167334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).